3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

C17H15FN2O2 — CID 42880227

IUPAC3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1OCc1noc(-c2ccccc2C)n1
InChIInChI=1S/C17H15FN2O2/c1-11-5-3-4-6-14(11)17-19-16(20-22-17)10-21-15-8-7-13(18)9-12(15)2/h3-9H,10H2,1-2H3
InChIKeyOHAVKSQVTJSVLU-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.07
Rot. Bonds4

About 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 42880227) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID42880227
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1OCc1noc(-c2ccccc2C)n1
InChIInChI=1S/C17H15FN2O2/c1-11-5-3-4-6-14(11)17-19-16(20-22-17)10-21-15-8-7-13(18)9-12(15)2/h3-9H,10H2,1-2H3
InChIKeyOHAVKSQVTJSVLU-UHFFFAOYSA-N
XLogP4.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42692377
3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole
CID 42692406
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167795893
3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46171762
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692370
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 42880227) is 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1cc(F)ccc1OCc1noc(-c2ccccc2C)n1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is OHAVKSQVTJSVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-5-3-4-6-14(11)17-19-16(20-22-17)10-21-15-8-7-13(18)9-12(15)2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 298.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42880227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).